(1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate

C20H13FN4O2 — CID 18149151

IUPAC(1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESN#Cc1c(COC(=O)c2cncn2-c2ccc(F)cc2)cn2ccccc12
InChIInChI=1S/C20H13FN4O2/c21-15-4-6-16(7-5-15)25-13-23-10-19(25)20(26)27-12-14-11-24-8-2-1-3-18(24)17(14)9-22/h1-8,10-11,13H,12H2
InChIKeyBBPLEPZWYALWIO-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.49
Rot. Bonds4

About (1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate

(1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate (PubChem CID 18149151) has the molecular formula C20H13FN4O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is (1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name(1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate
PubChem CID18149151
Molecular FormulaC20H13FN4O2
Molecular Weight360.35 g/mol
Exact Mass360.10
IUPAC Name(1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESN#Cc1c(COC(=O)c2cncn2-c2ccc(F)cc2)cn2ccccc12
InChIInChI=1S/C20H13FN4O2/c21-15-4-6-16(7-5-15)25-13-23-10-19(25)20(26)27-12-14-11-24-8-2-1-3-18(24)17(14)9-22/h1-8,10-11,13H,12H2
InChIKeyBBPLEPZWYALWIO-UHFFFAOYSA-N
XLogP3.49
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
The IUPAC name of (1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate (CID 18149151) is (1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for (1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
The canonical SMILES for (1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate is N#Cc1c(COC(=O)c2cncn2-c2ccc(F)cc2)cn2ccccc12.
What is the InChIKey of (1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
The InChIKey is BBPLEPZWYALWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O2/c21-15-4-6-16(7-5-15)25-13-23-10-19(25)20(26)27-12-14-11-24-8-2-1-3-18(24)17(14)9-22/h1-8,10-11,13H,12H2.
What are the key properties of (1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate?
(1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate has a molecular weight of 360.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanoindolizin-2-yl)methyl 3-(4-fluorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 18149151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).